MMsINC Database Search


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MMsINC code: MMs01075083

Type: Neutral
Formula: C₁₄H₂₁N₂O+

SMILES:

O(C)c1cc2c([nH]cc2CC[N+](C)(C)C)cc1

InChI:

InChI=1/C14H21N2O/c1-16(2,3)8-7-11-10-15-14-6-5-12(17-4)9-13(11)14/h5-6,9-10,15H,7-8H2,1-4H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8144 kcal/mol

Physical Properties
Molecular Weight: 233.335 g/mol	logS: -1.5277	SlogP: 2.42517	Reactive groups: 0

Topological Properties
Globularity: 0.0671613	Sterimol/B1: 2.38715	Sterimol/B2: 3.09759	Sterimol/B3: 4.34385
Sterimol/B4: 6.85132	Sterimol/L: 13.5805

Surface and Volume Properties
Accessible surface: 474.965	Positive charged surface: 386.713	Negative charged surface: 83.2684	Volume: 251.5
Hydrophobic surface: 363.774	Hydrophilic surface: 111.191

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.